| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:22 UTC |
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| Update Date | 2025-03-25 00:45:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149633 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14O7S |
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| Molecular Mass | 350.046 |
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| SMILES | O=C(O)c1cccc(C(=O)CCc2ccc(OS(=O)(=O)O)cc2)c1 |
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| InChI Key | RIHYGYMZZKPOCT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | linear 1,3-diarylpropanoids |
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| Subclass | chalcones and dihydrochalcones |
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| Direct Parent | retro-dihydrochalcones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl-phenylketonesaryl alkyl ketonesbenzoic acidsbenzoyl derivativesbutyrophenonescarboxylic acidshydrocarbon derivativeslinear 1,3-diarylpropanoidsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarboxylic acidaryl alkyl ketonebenzoylretro-dihydrochalconecarboxylic acid derivativeketonephenylsulfateorganic oxidearylsulfatebenzoic acidorganic sulfuric acid or derivativesbenzoic acid or derivativesphenylketonebutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esteralkyl-phenylketoneorganooxygen compoundaryl ketone |
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